Geometry & MOs

Info

ID:	202417
PubChem CID:	79670883
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	290.037958
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	5.66
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-3-(2,3-dihydroxypropylsulfanylmethyl)-2-hydroxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)CNCC1=C(N=C2N1C=CC=C2)SCC(CO)O

DOS

IR

Vibrations